SCHEMBL2178193

SCHEMBL2178193

COc1ccc2cc(-c3ccnc(NCc4ccc(OC)c(OC)c4)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.47
CLK4 Q9HAZ1 5/20 0.47
CLK1 P49759 3/20 0.44
DYRK1B Q9Y463 3/20 0.44
CLK2 P49760 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2177853 0.93 CCNT1 (0.46) DYRK1ACLK4HDAC1MAPTTP53
SCHEMBL2179774 0.93 CLK4 (0.50) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2178948 0.90 DYRK1A (0.48) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2178583 0.87 CCNT1 (0.45) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2177386 0.86 HDAC3 (0.49) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2176199 0.86 MITF (0.47) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2176860 0.85 HDAC3 (0.38) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2177434 0.85 VNN1 (0.42) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2178733 0.84 MKNK1 (0.48) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL2178911 0.84 CASR (0.39) DYRK1ACLK4CLK1DYRK1BCLK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP DYRK1A 2574/4885CLK4 3301/4885CLK1 3413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.